Geometry & MOs

Info

ID:	420989
PubChem CID:	135115167
Reduced:	N5C16H25 (1)
Stoich.:	A5B16C25 (1)
Weight, g/mol:	388.163436
ΔH_f, kcal/mol:	43.3
Dipole, Da:	3.38
IP(EA), eV:	-8.52(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-hydroxy-1-(6-methoxy-4-oxo-1H-quinoline-3-carbonyl)-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCN1C=C(C(=N1)C)CN2CCCC(C2)C3=NC=CN3

DOS

IR

Vibrations